N-cyclohexyl-4-fluoro-1-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]indole-3-carboxamide

C26H27FN4O — CID 123838231

IUPACN-cyclohexyl-4-fluoro-1-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]indole-3-carboxamide
SMILESCn1cc(-c2ccc(Cn3cc(C(=O)NC4CCCCC4)c4c(F)cccc43)cc2)cn1
InChIInChI=1S/C26H27FN4O/c1-30-16-20(14-28-30)19-12-10-18(11-13-19)15-31-17-22(25-23(27)8-5-9-24(25)31)26(32)29-21-6-3-2-4-7-21/h5,8-14,16-17,21H,2-4,6-7,15H2,1H3,(H,29,32)
InChIKeyODYXCEBZXZQOKV-UHFFFAOYSA-N
MW430.53 g/mol
LogP5.29
Rot. Bonds5

About N-cyclohexyl-4-fluoro-1-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]indole-3-carboxamide

N-cyclohexyl-4-fluoro-1-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]indole-3-carboxamide (PubChem CID 123838231) has the molecular formula C26H27FN4O and a molecular weight of 430.53 g/mol. Its IUPAC name is N-cyclohexyl-4-fluoro-1-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]indole-3-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-4-fluoro-1-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]indole-3-carboxamide
PubChem CID123838231
Molecular FormulaC26H27FN4O
Molecular Weight430.53 g/mol
Exact Mass430.22
IUPAC NameN-cyclohexyl-4-fluoro-1-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]indole-3-carboxamide
SMILESCn1cc(-c2ccc(Cn3cc(C(=O)NC4CCCCC4)c4c(F)cccc43)cc2)cn1
InChIInChI=1S/C26H27FN4O/c1-30-16-20(14-28-30)19-12-10-18(11-13-19)15-31-17-22(25-23(27)8-5-9-24(25)31)26(32)29-21-6-3-2-4-7-21/h5,8-14,16-17,21H,2-4,6-7,15H2,1H3,(H,29,32)
InChIKeyODYXCEBZXZQOKV-UHFFFAOYSA-N
XLogP5.29
TPSA51.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.53
LogP ≤ 55.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-fluoro-N-[(1S,2S)-2-hydroxycyclohexyl]-1-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]indole-3-carboxamide
CID 121482836
1-benzyl-N-cyclohexyl-4-fluoroindole-3-carboxamide
CID 123211573
N-cycloheptyl-4-fluoro-1-[[4-(methylcarbamoyl)phenyl]methyl]indole-3-carboxamide
CID 121482780
N-cycloheptyl-4-fluoro-1-[(4-propanoylphenyl)methyl]indole-3-carboxamide
CID 159266559
4-fluoro-1-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]indole-3-carboxamide
CID 140797941
4-fluoro-1-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-N-[(3R)-oxan-3-yl]indole-3-carboxamide
CID 144813189
N-cyclohexyl-4-fluoro-1-[(3-fluoro-4-methoxyphenyl)methyl]indole-3-carboxamide
CID 144813115
4-fluoro-N-[(1S,2S)-2-hydroxycyclohexyl]-7-methyl-1-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]indole-3-carboxamide
CID 121482851
1-[(4-carbamoylphenyl)methyl]-4-fluoro-N-(oxan-4-yl)indole-3-carboxamide
CID 123766771
4-fluoro-N-(oxan-4-yl)-1-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]indole-3-carboxamide
CID 144813109
N-cyclohexyl-4,5-difluoro-1-[[4-(4-methylimidazol-1-yl)phenyl]methyl]indole-3-carboxamide
CID 144813167
1-[(2,3-difluoro-4-pyridinyl)methyl]-4-fluoro-N-[(1S,2S)-2-hydroxycyclohexyl]indole-3-carboxamide
CID 135312875

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-4-fluoro-1-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]indole-3-carboxamide?
The IUPAC name of N-cyclohexyl-4-fluoro-1-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]indole-3-carboxamide (CID 123838231) is N-cyclohexyl-4-fluoro-1-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]indole-3-carboxamide.
What is the SMILES notation for N-cyclohexyl-4-fluoro-1-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]indole-3-carboxamide?
The canonical SMILES for N-cyclohexyl-4-fluoro-1-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]indole-3-carboxamide is Cn1cc(-c2ccc(Cn3cc(C(=O)NC4CCCCC4)c4c(F)cccc43)cc2)cn1.
What is the InChIKey of N-cyclohexyl-4-fluoro-1-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]indole-3-carboxamide?
The InChIKey is ODYXCEBZXZQOKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27FN4O/c1-30-16-20(14-28-30)19-12-10-18(11-13-19)15-31-17-22(25-23(27)8-5-9-24(25)31)26(32)29-21-6-3-2-4-7-21/h5,8-14,16-17,21H,2-4,6-7,15H2,1H3,(H,29,32).
What are the key properties of N-cyclohexyl-4-fluoro-1-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]indole-3-carboxamide?
N-cyclohexyl-4-fluoro-1-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]indole-3-carboxamide has a molecular weight of 430.53 g/mol, XLogP of 5.29, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-4-fluoro-1-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]indole-3-carboxamide is sourced from PubChem (CID 123838231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).